2-(4-fluorophenyl)-5-phenyltetrazole

C13H9FN4 — CID 2990094

IUPAC2-(4-fluorophenyl)-5-phenyltetrazole
SMILESFc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9FN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeyBBHOQXOMWJCKFR-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.47
Rot. Bonds2

About 2-(4-fluorophenyl)-5-phenyltetrazole

2-(4-fluorophenyl)-5-phenyltetrazole (PubChem CID 2990094) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-phenyltetrazole
PubChem CID2990094
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name2-(4-fluorophenyl)-5-phenyltetrazole
SMILESFc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H9FN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H
InChIKeyBBHOQXOMWJCKFR-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-phenyltetrazole?
The IUPAC name of 2-(4-fluorophenyl)-5-phenyltetrazole (CID 2990094) is 2-(4-fluorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-phenyltetrazole is Fc1ccc(-n2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-phenyltetrazole?
The InChIKey is BBHOQXOMWJCKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-11-6-8-12(9-7-11)18-16-13(15-17-18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-fluorophenyl)-5-phenyltetrazole?
2-(4-fluorophenyl)-5-phenyltetrazole has a molecular weight of 240.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 2990094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).